CAS RN: 67684-64-4
(+/-)-1-AMINOCYCLOPENTANE-TRANS-1,3-DICARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: starshine_CAS67684-64-4
- Purity/Analytical Methods: >99.0%
67684-64-4 / 1-aminocyclopentane-1,3-dicarboxylic acid
Basic Information
CAS
67684-64-4
Multi CAS
Yes
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
InChI
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)
InChIKey
YFYNOWXBIBKGHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.53
TPSA
100.62
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-3.2
Consensus LogP
-1.29
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Anhydroglycinol
- CAS RN: 67685-22-7
- Product Code: starshine_CAS67685-22-7
- Purity/Analytical method: >99.0%
-
1-Oxa-6-azaspiro[2.5]octane, 6-methyl-
- CAS RN: 67685-99-8
- Product Code: starshine_CAS67685-99-8
- Purity/Analytical method: >99.0%
-
-
-
1-(PYRIDIN-2-YLCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID
- CAS RN: 67691-62-7
- Product Code: SSC-177442
-
![CAS 67685-99-8 1-Oxa-6-azaspiro[2.5]octane, 6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67685-99-8.gif)
